Re: [AMBER-Developers] Experiences with sleap

From: David A Case <>
Date: Mon, 7 Nov 2011 14:54:26 -0500

On Mon, Nov 07, 2011, Ben Roberts wrote:
> So then, what (if anything) is to be done, and who's to do it? That
> seems to me to be the crucial question. Do we try to answer it on the
> list, or wait until January?

Seems to me Yong is doing it:

commit e7290894585886f8af70a7f64363139b6bdf4a35
Author: Yong Duan <>
Date: Sun Nov 6 01:10:21 2011 -0700

    Changes to accommodate
        scee/scnb in both amber and glycam formats
        dipole damping factor (Thole model),
        moved IPOL to parmxx.dat/frcmod.dat
        added brief help information
        added "showdefault" command.
    MengJuei Hsieh did most of the work.
    Arunima Singh (UGA) coded scee/scnb for glycam.
    modified: amber.c
    modified: atom.c
    modified: atom.h
    modified: basics.c
    modified: build.c
    new file: cmap.h
    modified: commands.c
    modified: defaults.h
    modified: helptext.text
    modified: model.c
    modified: parmSet.c
    modified: parmSet.h
    modified: tools.c
    modified: unitio.c
    modified: xaAtomParmTable.c
    modified: xaImproperParmTable.c
    modified: xaTorsionParmTable.c

But maybe (probably) I don't understand the question being asked here.


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Received on Mon Nov 07 2011 - 12:00:04 PST
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